2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide

C12H13ClN2O3S — CID 61051425

IUPAC2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-9(7-10-3-2-6-18-10)15-19(16,17)11-4-5-14-12(13)8-11/h2-6,8-9,15H,7H2,1H3
InChIKeyNVVNTJHEWOMGEO-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.24
Rot. Bonds5

About 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide

2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide (PubChem CID 61051425) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
PubChem CID61051425
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide
SMILESCC(Cc1ccco1)NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C12H13ClN2O3S/c1-9(7-10-3-2-6-18-10)15-19(16,17)11-4-5-14-12(13)8-11/h2-6,8-9,15H,7H2,1H3
InChIKeyNVVNTJHEWOMGEO-UHFFFAOYSA-N
XLogP2.24
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(2-chlorophenyl)propan-2-yl]pyridine-4-sulfonamide
CID 61053448
3-N-[(2R)-1-(furan-2-yl)propan-2-yl]benzene-1,3-disulfonamide
CID 97020376
N-[1-(furan-2-yl)propan-2-yl]-3-hydroxybenzenesulfonamide
CID 81258780
2-amino-4-chloro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 61126634
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
4-(2-chloroethyl)-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 60959654
3-(aminomethyl)-4-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 63288766
N-[1-(furan-2-yl)propan-2-yl]-4-(methylaminomethyl)benzenesulfonamide
CID 61470755
2-chloro-N-(3-methylpentan-2-yl)pyridine-4-sulfonamide
CID 54950253
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
4-[1-(furan-2-yl)propan-2-ylsulfamoyl]-N-methylbenzamide
CID 51078414
4-bromo-2-fluoro-N-[1-(furan-2-yl)propan-2-yl]benzenesulfonamide
CID 116528376

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide (CID 61051425) is 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide is CC(Cc1ccco1)NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide?
The InChIKey is NVVNTJHEWOMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-9(7-10-3-2-6-18-10)15-19(16,17)11-4-5-14-12(13)8-11/h2-6,8-9,15H,7H2,1H3.
What are the key properties of 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide?
2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(furan-2-yl)propan-2-yl]pyridine-4-sulfonamide is sourced from PubChem (CID 61051425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).